(E)-2-(1H-benzimidazol-2-yl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]acrylonitrile Formula: C25H18N6 MolecularWeight: 402.45062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C=C(C#N)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=C(\C#N)/C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H18N6/c26-14-20(25-28-22-10-4-5-11-23(22)29-25)13-21-17-31(16-18-7-2-1-3-8-18)30-24(21)19-9-6-12-27-15-19/h1-13,15,17H,16H2,(H,28,29)/b20-13+